Benzonitrile

Benzonitrile

SCHEMBL2493083

CCOCC.N#Cc1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
MAOB P27338 4/20 0.47
CYP2A6 P11509 2/20 0.46
MAOA P21397 3/20 0.43
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
LTA4H P09960 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
ELANE P08246 1/20 0.38
SLC6A4 P31645 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ether SCHEMBL6336151 0.88 TSHR (0.48) TSHRMAOBCYP2A6MAOAALDH1A1
Benzonitrile SCHEMBL28397521 0.85 TSHR (0.78) TSHRMAOBCYP2A6MAOAALDH1A1
Benzonitrile SCHEMBL27596480 0.83 TSHR (0.58) TSHRMAOBCYP2A6MAOAALDH1A1
Ether SCHEMBL11055481 0.82 MMP3 (0.52) TSHRCYP2A6ALDH1A1LOXL2
Benzonitrile SCHEMBL10616404 0.81 TSHR (0.70) TSHRMAOBCYP2A6MAOAALDH1A1
Benzonitrile SCHEMBL27993001 0.81 TSHR (0.70) TSHRMAOBCYP2A6MAOAALDH1A1
Benzonitrile SCHEMBL9821946 0.81 TSHR (0.70) TSHRMAOBCYP2A6MAOAALDH1A1
Benzonitrile SCHEMBL16468987 0.80 TSHR (0.78) TSHRMAOBCYP2A6MAOAALDH1A1
Benzonitrile SCHEMBL27895262 0.80 TSHR (0.88) TSHRMAOBCYP2A6MAOAALDH1A1
Benzonitrile SCHEMBL2154015 0.80 TSHR (0.88) TSHRMAOBCYP2A6MAOAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300082-B Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2022-04-26 CN claimed
CN-109923242-B Solid polymer membrane electrode 株式会社日本多宁 2021-10-29 CN claimed
WO-2021017996-A1 PHENYLPIPERAZINE QUINAZOLINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 暨南大学 2021-02-04 WO claimed
CN-112300082-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2021-02-02 CN claimed
US-8658329-B2 Advanced membrane electrode assemblies for fuel cells LOS ALAMOS NATIONAL SECURITY, LLC (US) 2014-02-25 US claimed
US-20120308914-A1 ADVANCED MEMBRANE ELECTRODE ASSEMBLIES FOR FUEL CELLS LOS ALAMOS NATIONAL SECURITY, LLOC (US) 2012-12-06 US claimed
US-8227147-B2 Advanced membrane electrode assemblies for fuel cells LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-07-24 US claimed
EP-2179465-A1 ELECTRODES FOR USE IN HYDROCARBON-BASED MEMBRANE ELECTRODE ASSEMBLIES OF DIRECT OXIDATION FUEL CELLS Panasonic Corporation (JP) 2010-04-28 EP claimed
US-20100068592-A1 Electrodes for use in hydrocarbon-based membrane electrode assemblies of direct oxidation fuel cells MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2010-03-18 US claimed
WO-2009020734-A1 ELECTRODES FOR USE IN HYDROCARBON-BASED MEMBRANE ELECTRODE ASSEMBLIES OF DIRECT OXIDATION FUEL CELLS PANASONIC CORPORATION (JP) 2009-02-12 WO claimed
CN-114920704-B Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2023-11-03 CN disclosed
CN-115108999-B Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2023-11-03 CN disclosed
EP-3841147-B1 AROMATIC POLYETHERS CONTAINING A BIOSOURCED FURAN DIOL ROQUETTE FRERES (FR) 2023-10-04 EP disclosed
CN-115108999-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2022-09-27 CN disclosed
CN-114920704-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2022-08-19 CN disclosed
US-5212311-A Catalysts TOSOH CORPORATION (JP) 1993-05-18 US disclosed
US-5079359-A Ligand to metals with Lewis acidity, catalyst for assymetric synthesis TOSOH CORPORATION (JP) 1992-01-07 US disclosed
US-4193929-A OF AN ALKENE BY REACTION WITH A PEROXYCARBOXYLIC ACID Propylox a Societe Anonyme (BE) 1980-03-18 US disclosed
US-4172840-A EPICHLOROHYDRIN FROM ALLYL CHLORIDE AND PERPROPIONIC ACID INTEROX CHEMICALS LIMITED (GB) 1979-10-30 US disclosed
US-4168274-A PEROXIDATION OF A CARBOXY ACID WITH HYDROGEN PEROXIDE IN SULFURIC ACID AND SOLVENT; EPOXIDATION OF AN ALKENE WITH THE PERACID INTEROX CHEMICALS LIMITED (GB) 1979-09-18 US disclosed